2-(4-methylpyrimidin-2-yl)sulfanyl-2-phenylacetic acid

Modify Date: 2025-09-18 18:07:55

2-(4-methylpyrimidin-2-yl)sulfanyl-2-phenylacetic acid Structure
2-(4-methylpyrimidin-2-yl)sulfanyl-2-phenylacetic acid structure
 Common Name 2-(4-methylpyrimidin-2-yl)sulfanyl-2-phenylacetic acid
CAS Number 87125-93-7 Molecular Weight 260.31200
Density 1.34g/cm3 Boiling Point 438ºC at 760 mmHg
Molecular Formula C13H12N2O2S Melting Point N/A
MSDS N/A Flash Point 218.7ºC

 Names

Name 2-(4-methylpyrimidin-2-yl)sulfanyl-2-phenylacetic acid

 Chemical & Physical Properties

Density 1.34g/cm3
Boiling Point 438ºC at 760 mmHg
Molecular Formula C13H12N2O2S
Molecular Weight 260.31200
Flash Point 218.7ºC
Exact Mass 260.06200
PSA 88.38000
LogP 2.70300
Index of Refraction 1.647
InChIKey VUPJCTMSPPTLBN-UHFFFAOYSA-N
SMILES Cc1ccnc(SC(C(=O)O)c2ccccc2)n1

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
CY1683100
CHEMICAL NAME :
Benzeneacetic acid, alpha-((4-methyl-2-pyrimidinyl)thio)-
CAS REGISTRY NUMBER :
87125-93-7
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C13-H12-N2-O2-S
MOLECULAR WEIGHT :
260.33

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intramuscular
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
FAVUAI Fiziologicheski Aktivnye Veshchestva. Physiologically Active Substances. (Izdatel'stvo Naukova Dumka, Kiev, USSR) No.1- 1966- Volume(issue)/page/year: 18,75,1986
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Chemsrc provides CAS#:87125-93-7 MSDS, density, melting point, boiling point, structure, etc. Its name is 2-(4-methylpyrimidin-2-yl)sulfanyl-2-phenylacetic acid>> amp version: 2-(4-methylpyrimidin-2-yl)sulfanyl-2-phenylacetic acid

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